Basic information
- CAS
57343-51-8- Standard SMILES
CC[N+](CC)(CC)CCOC(=O)CC(O)(c1ccccc1)c1ccccc1.[Br-]- InChIKey
OESCXTQBGMTOAB-UHFFFAOYSA-M- Molecular formula
- C23H32BrNO3
- Average molar mass
- 450.4 g/mol
- Monoisotopic mass
- 449.15656
Names & identifiers
- Preferred name
- Ammonium, (2-hydroxyethyl)triethyl-, bromide, 3,3-diphenyl-3-hydroxypropionate
- IUPAC
- triethyl-[2-(3-hydroxy-3,3-diphenylpropanoyl)oxyethyl]azanium bromide
Names & synonyms
DPE-ethyl bromideAMMONIUM, (2-HYDROXYETHYL)TRIETHYL-, BROMIDE, 3,3-DIPHENYL-3-HYDROXYPROPIONATE57343-51-8RefChem:318802DTXSID20972851N,N,N-Triethyl-2-[(3-hydroxy-3,3-diphenylpropanoyl)oxy]ethan-1-aminium bromide
Database identifiers
- CAS
57343-51-8- PubChem CID
- 42279
- DTXSID
DTXSID20972851
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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